Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRSRQPLLDALGVDLPDE-LLSLALTHRSYAYENGGLPTNERLEFLGDAVLGLTITDALFHRHPDRSEGDLAKLRASVVNTQALADVARRLCAEGLGVH--VLLGRGEANTGGADKSSILADGMESLLGAIYLQHGMEK--AREVILRLFGP-LLDAAPTLGAGLDWKTSLQELTAARGLGAPSY-LVTSTGPDHDKEFTAVVVVMDSEYGS-GVGRSKKEAEQKAAAAAWKALEVLDNAMPGKTSA
2NUG Chain:A ((5-218))
-----EQLEKKLGYTFKDKSLLEKALTHVSYSKKEH----YETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFF-----NLLAQKLELHKFIRIKRGKIN------ETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKF--IVEAKIKEYRTLGEGKSKKEAEQRAAEELIKLLE------------
General information:
TITO was launched using:
RESULT:
Template:
2NUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98481 for 1481 contacts (-66.5/contact) +
2D Compatibility (PS) -22839 + (NN) -14235 + (LL) 1524
1D Compatibility (HY) -17200 + (ID) 4100
Total energy: -155331.0 ( -104.88 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_2NUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUG-query.scw
PDB file :
Tito_Scwrl_2NUG.pdb
: